CID 11041377

2-(4-chlorophenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C9H7ClO2
SMILES
C=C(C1=CC=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C9H7ClO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-5H,1H2,(H,11,12)
InChIKey
IAXZBSWYBYZRQZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

182.01346 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02074 133.2
[M+Na]+ 205.00268 142.0
[M-H]- 181.00618 135.8
[M+NH4]+ 200.04728 153.3
[M+K]+ 220.97662 137.9
[M+H-H2O]+ 165.01072 129.2
[M+HCOO]- 227.01166 150.7
[M+CH3COO]- 241.02731 177.6
[M+Na-2H]- 202.98813 137.5
[M]+ 182.01291 133.9
[M]- 182.01401 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe